On Mar 16, 2011, at 1:11 , xuhui luo wrote: > > But what I would like to do is to taking inner product of (n,k) > from one structure and (n',k') from another perturbed structure. > Thus I need to read two set of wavefunction at the same time. > Do you have suggestions to deal with this situation?
> save wavefunctions in real space. It will be much easier: no problems with ordering of k+G vectors P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
